5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide

C14H11F3INOS — CID 79691672

IUPAC5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(I)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3INOS/c1-8(19-13(20)10-6-12(18)21-7-10)9-3-2-4-11(5-9)14(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyJEYXAJNINRJWMA-UHFFFAOYSA-N
MW425.21 g/mol
LogP4.86
Rot. Bonds3

About 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide

5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide (PubChem CID 79691672) has the molecular formula C14H11F3INOS and a molecular weight of 425.21 g/mol. Its IUPAC name is 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
PubChem CID79691672
Molecular FormulaC14H11F3INOS
Molecular Weight425.21 g/mol
Exact Mass424.96
IUPAC Name5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(I)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3INOS/c1-8(19-13(20)10-6-12(18)21-7-10)9-3-2-4-11(5-9)14(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyJEYXAJNINRJWMA-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.21
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78949059
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901
N-[1-(4-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78948691
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764046
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 9116458
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide (CID 79691672) is 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide is CC(NC(=O)c1csc(I)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide?
The InChIKey is JEYXAJNINRJWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3INOS/c1-8(19-13(20)10-6-12(18)21-7-10)9-3-2-4-11(5-9)14(15,16)17/h2-8H,1H3,(H,19,20).
What are the key properties of 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide?
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide has a molecular weight of 425.21 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 79691672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).